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  • Nick R. Papior's avatar
    Enabled LDA+U in siesta · 8b713d2c
    Nick R. Papior authored
    - Conversion of the previous implementation to the trunk version
      This version has been implemented by Javier Junquera
    
    added:
      Src/ldau.F
      Src/ldau_specs.f
    modified:
      Docs/siesta.tex
      Src/Makefile
      Src/atm_transfer.f
      Src/atm_types.f
      Src/atmfuncs.f
      Src/atom.F
      Src/basis_io.F
      Src/basis_specs.f
      Src/basis_types.f
      Src/broadcast_basis.F
      Src/compute_energies.F90
      Src/compute_max_diff.F
      Src/final_H_f_stress.F
      Src/hsparse.F
      Src/initatom.f
      Src/m_energies.F90
      Src/matel_registry.F90
      Src/register_rfs.F90
      Src/scfconvergence_test.F
      Src/setup_hamiltonian.F
      Src/siesta_init.F
      Src/write_subs.F
    
    8b713d2c